(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid

C14H13N3O3 — CID 15042559

IUPAC(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cnccn1
InChIInChI=1S/C14H13N3O3/c18-13(12-9-15-6-7-16-12)17-11(14(19)20)8-10-4-2-1-3-5-10/h1-7,9,11H,8H2,(H,17,18)(H,19,20)/t11-/m0/s1
InChIKeyDWYZPDHMMZGQAP-NSHDSACASA-N
MW271.28 g/mol
LogP0.90
Rot. Bonds5

About (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid

(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid (PubChem CID 15042559) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid
PubChem CID15042559
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cnccn1
InChIInChI=1S/C14H13N3O3/c18-13(12-9-15-6-7-16-12)17-11(14(19)20)8-10-4-2-1-3-5-10/h1-7,9,11H,8H2,(H,17,18)(H,19,20)/t11-/m0/s1
InChIKeyDWYZPDHMMZGQAP-NSHDSACASA-N
XLogP0.90
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-Pyrazinylcarbonyl)-L-phenylalanyl-N-((1R)-1-borono-3-methylbutyl)-L-phenylalaninamide
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CID 24871309
B-((1R)-3-Methyl-1-(((2R)-1-oxo-3-phenyl-2-((2-pyrazinylcarbonyl)amino)propyl)amino)butyl)boronic acid
CID 59476170
[(1R)-4-phenyl-1-[[(2R)-2-(pyrazine-2-carbonylamino)pentanoyl]amino]butyl]boronic acid
CID 155884491
[(1R)-2-(3-ethylphenyl)-1-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]ethyl]boronic acid
CID 157049321
N-benzylpyrazine-2-carboxamide
CID 470909
[(1R)-1-[[(2S)-3-(4-fluorophenyl)-2-(pyrazine-2-carbonylamino)propanoyl]amino]-3-methylbutyl]boronic acid
CID 24861289
[(1S)-3-methyl-1-[[(2S)-4-methyl-2-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]pentanoyl]amino]butyl]boronic acid
CID 46227221
[(1S)-3-methyl-1-[[(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]propanoyl]amino]butyl]boronic acid
CID 46227257
[(1S)-3-methyl-1-[[(2S)-2-[[(2S)-4-methyl-2-(pyrazine-2-carbonylamino)pentanoyl]amino]-3-phenylpropanoyl]amino]butyl]boronic acid
CID 46227290
5-methyl-N-(4-phenylbutan-2-yl)pyrazine-2-carboxamide
CID 4078603

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid?
The IUPAC name of (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid (CID 15042559) is (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid.
What is the SMILES notation for (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid?
The canonical SMILES for (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid is O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cnccn1.
What is the InChIKey of (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid?
The InChIKey is DWYZPDHMMZGQAP-NSHDSACASA-N. The full InChI is InChI=1S/C14H13N3O3/c18-13(12-9-15-6-7-16-12)17-11(14(19)20)8-10-4-2-1-3-5-10/h1-7,9,11H,8H2,(H,17,18)(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid?
(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid has a molecular weight of 271.28 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid is sourced from PubChem (CID 15042559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).